In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 25 | Yes |
Popular Name: (2R)-N-(4-tert-butylphenyl)-2-[(5-hydroxy-4-propyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (2R)-N-(4-tert-butylphenyl)-2-[(…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.23 | 6.1 | -14.64 | 2 | 6 | 0 | 80 | 362.499 | 7 | ↓ |
Ref Reference (pH 7) | 3.77 | 8.64 | -11.3 | 2 | 6 | 0 | 80 | 362.499 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.23 | 6.92 | -52.13 | 1 | 6 | -1 | 83 | 361.491 | 7 | ↓ |